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DOE OSTI2016

TH-CD-207B-09: Task-Driven Fluence Field Modulation Design for Model-Based Iterative Reconstruction in CT

Purpose: There has been increasing interest in integrating fluence field modulation (FFM) devices with diagnostic CT scanners for dose reduction purposes. Conventional FFM strategies, however, are often either based on heuristics or the analysis of filtered-backprojection (FBP) performance. This work investigates a prospective task-driven optimization of FFM for model-based iterative reconstruction (MBIR) in order to improve imaging performance at the same total dose as conventional strategies. Methods: The task-driven optimization framework utilizes an ultra-low dose 3D scout as a patient-specific anatomical model and a mathematical formation of the imaging task. The MBIR method investigated is quadratically penalized-likelihood reconstruction. The FFM objective function uses detectability index, d’, computed as a function of the predicted spatial resolution and noise in the image. To optimize performance throughout the object, a maxi-min objective was adopted where the minimum d’ over multiple locations is maximized. To reduce the dimensionality of the problem, FFM is parameterized as a linear combination of 2D Gaussian basis functions over horizontal detector pixels and projection angles. The coefficients of these bases are found using the covariance matrix adaptation evolution strategy (CMA-ES) algorithm. The task-driven design was compared with three other strategies proposed for FBP reconstruction for a calcification cluster discrimination task in an abdomen phantom. Results: The task-driven optimization yielded FFM that was significantly different from those designed for FBP. Comparing all four strategies, the task-based design achieved the highest minimum d’ with an 8–48% improvement, consistent with the maxi-min objective. In addition, d’ was improved to a greater extent over a larger area within the entire phantom. Conclusion: Results from this investigation suggests the need to re-evaluate conventional FFM strategies for MBIR. The task-based optimization framework provides a promising approach that maximizes imaging performance under the same total dose constraint.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2017

Ultrasound-assisted facile synthesis of a new tantalum(V) metal-organic framework nanostructure: Design, characterization, systematic study, and CO{sub 2} adsorption performance

This work presents a fast route for the preparation of a new Ta(V) metal-organic framework nanostructure with high surface area, significant porosity, and small size distribution. X-ray diffraction (XRD), scanning electron microscopy (SEM), Transition electron microscopy (TEM), energy dispersive spectrometer (EDS), thermo-gravimetric analysis (TGA), differential scanning calorimetry (DSC), fourier transform infrared spectroscopy (FTIR), CHNS/O elemental analyser, and Brunauer-Emmett-Teller (BET) surface area analysis were applied to characterize the synthesized product. Moreover, the influences of ultrasonic irradiation including temperature, time, and power on different features of the final products were systematically studied using 2{sup k-1} factorial design experiments, and the response surface optimization was used for determining the best welding parameter combination. The results obtained from analyses of variances showed that ultrasonic parameters affected the size distribution, thermal behaviour, and surface area of Ta-MOF samples. Based on response surface methodology, Ta-MOF could be obtained with mean diameter of 55 nm, thermal stability of 228 °C, and high surface area of 2100 m{sup 2}/g. The results revealed that the synthesized products could be utilized in various applications such as a novel candidate for CO{sub 2} adsorption. - Graphical abstract: A facile route was used for fabrication of a new metal -organic framework based on tantalum nanostructures that have high surface area, considerable porosity, homogenous morphology, and small size distribution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2011

Hayabusa Re-Entry: Trajectory Analysis and Observation Mission Design

On June 13th, 2010, the Hayabusa sample return capsule successfully re-entered Earth s atmosphere over the Woomera Prohibited Area in southern Australia in its quest to return fragments from the asteroid 1998 SF36 Itokawa . The sample return capsule entered at a super-orbital velocity of 12.04 km/sec (inertial), making it the second fastest human-made object to traverse the atmosphere. The NASA DC-8 airborne observatory was utilized as an instrument platform to record the luminous portion of the sample return capsule re-entry (~60 sec) with a variety of on-board spectroscopic imaging instruments. The predicted sample return capsule s entry state information at ~200 km altitude was propagated through the atmosphere to generate aerothermodynamic and trajectory data used for initial observation flight path design and planning. The DC- 8 flight path was designed by considering safety, optimal sample return capsule viewing geometry and aircraft capabilities in concert with key aerothermodynamic events along the predicted trajectory. Subsequent entry state vector updates provided by the Deep Space Network team at NASA s Jet Propulsion Laboratory were analyzed after the planned trajectory correction maneuvers to further refine the DC-8 observation flight path. Primary and alternate observation flight paths were generated during the mission planning phase which required coordination with Australian authorities for pre-mission approval. The final observation flight path was chosen based upon trade-offs between optimal viewing requirements, ground based observer locations (to facilitate post-flight trajectory reconstruction), predicted weather in the Woomera Prohibited Area and constraints imposed by flight path filing deadlines. To facilitate sample return capsule tracking by the instrument operators, a series of two racetrack flight path patterns were performed prior to the observation leg so the instruments could be pointed towards the region in the star background where the sample return capsule was expected to become visible. An overview of the design methodologies and trade-offs used in the Hayabusa re-entry observation campaign are presented.

Cassell, Alan M.↗

DOE OSTI2020

The Link Between the Ecology of the Prokaryotic Rare Biosphere and Its Biotechnological Potential

Current research on the prokaryotic low abundance taxa, the prokaryotic rare biosphere, is growing, leading to a greater understanding of the mechanisms underlying organismal rarity and its relevance in ecology. From this emerging knowledge it is possible to envision innovative approaches in biotechnology applicable to several sectors. Bioremediation and bioprospecting are two of the most promising areas where such approaches could find feasible implementation, involving possible new solutions to the decontamination of polluted sites and to the discovery of novel gene variants and pathways based on the attributes of rare microbial communities. Bioremediation can be improved through the realization that diverse rare species can grow abundant and degrade different pollutants or possibly transfer useful genes. Further, most of the prokaryotic diversity found in virtually all environments belongs in the rare biosphere and remains uncultivatable, suggesting great bioprospecting potential within this vast and understudied genetic pool. This Mini Review argues that knowledge of the ecophysiology of rare prokaryotes can aid the development of future, efficient biotechnology-based processes, products and services. However, this promise may only be fulfilled through improvements in (and optimal blending of) advanced microbial culturing and physiology, metagenomics, genome annotation and editing, and synthetic biology, to name a few areas of relevance. In the future, it will be important to understand how activity profiles relate with abundance, as some rare taxa can remain rare and increase activity, whereas other taxa can grow abundant. The metabolic mechanisms behind those patterns can be useful in designing biotechnological processes.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2017

Grain engineering: How nanoscale inhomogeneities can control charge collection in solar cells

Statistical and correlative analysis are increasingly important in the design and study of new materials, from semiconductors to metals. Non-destructive measurement techniques, with high spatial resolution, capable of correlating composition and/or structure with device properties, are few and far between. For the case of polycrystalline and inhomogeneous materials, the added challenge is that nanoscale resolution is in general not compatible with the large sampling areas necessary to have a statistical representation of the specimen under study. For the study of grain cores and grain boundaries in polycrystalline solar absorbers this is of particular importance since their dissimilar behavior and variability throughout the samples makes it difficult to draw conclusions and ultimately optimize the material. In this study, we present a nanoscale in-operando approach based on the multimodal utilization of synchrotron nano x-ray fluorescence and x-ray beam induced current collected for grain core and grain boundary areas and correlated pixel-by-pixel in fully operational Cu(In(1-x)Gax)Se2Cu(In(1-x)Gax)Se2 solar cells. We observe that low gallium cells have grain boundaries that over perform compared to the grain cores and high gallium cells have boundaries that under perform. These results demonstrate how nanoscale correlative X-ray microscopy can guide research pathways towards grain engineering low cost, high efficiency solar cells.

14 SOLAR ENERGY↗

DOE OSTI2023

Wind Farm Control and Layout Optimization for U.S. Offshore Wind Farms (Final Report - D5)

This report reviews the results and main conclusions of the NOWRDC project "Wind Farm Control and Layout Optimization for U.S. Offshore Wind Farms." A key finding is that wake steering should be considered a valuable tool for increasing the energy production of wind farms, especially in the event the farms are designed to maximize the energy production of a given boundary area.

17 WIND ENERGY↗

NASA NTRS1978

Alternatives for jet engine control

General goals of the research were classified into two categories. The first category involves the use of modern multivariable frequency domain methods for control of engine models in the neighborhood of a quiescent point. The second category involves the use of nonlinear modelling and optimization techniques for control of engine models over a more extensive part of the flight envelope. In the frequency domain category, works were published in the areas of low-interaction design, polynomial design, and multiple setpoint studies. A number of these ideas progressed to the point at which they are starting to attract practical interest. In the nonlinear category, advances were made both in engine modelling and in the details associated with software for determination of time optimal controls. Nonlinear models for a two spool turbofan engine were expanded and refined; and a promising new approach to automatic model generation was placed under study. A two time scale scheme was developed to do two-dimensional dynamic programming, and an outward spiral sweep technique has greatly speeded convergence times in time optimal calculations.

Leake, R. J.↗

DOE OSTI2022

Maximizing Archimedes spiral packing density area

In this paper, we experimentally demonstrate a broadband Archimedes spiral delay line with high packing density on a silicon photonic platform. This high density is achieved by optimizing the gap between the adjacent waveguides (down to sub-micron scale) in the spiral configuration. However, care must be taken to avoid evanescent coupling, the presence of which will cause the spiral to behave as a novel type of distributed spiral resonator. To this end, an analytical model of the resonance phenomenon was developed for a simple spiral. Moreover, it is demonstrated that this distributed spiral resonator effect can be minimized by ensuring that adjacent waveguides in the spiral configuration have different propagation constants ( β ). Experimental validations were accomplished by fabricating and testing multiple spiral waveguides with varying lengths (i.e., 0.4, 0.8, and 1.4 mm) and separation gaps (i.e., 300 and 150 nm). Finally, a Linear Density Figure of Merit (LDFM) is introduced to evaluate the packing efficiency of various spiral designs in the literature. In this work, the optimum experimental design with mitigated resonance had a length of 1.4mm and occupied an area of 60 × 60µm, corresponding to an LDFM of 388km -1 .

42 ENGINEERING↗

NASA NTRS2023

Optimizing Surfactant Templating of Yttria-Stabilized Zirconia Aerogels for High-Temperature Applications: Effect of Anionic and Nonionic Surfactant

Aerogels, mesoporous materials with extreme material properties including high specific surface area, low density, and low thermal conductivity, can be useful for applications including catalysis, sorption media, and drug delivery. The low thermal conductivity and high surface area of aerogels makes them advantageous as thermal management systems, specifically for aerospace or aeronautics applications. However, the pore collapse and subsequent surface area decrease of aerogels following exposure to high temperatures must be mitigated to allow aerogels to be effectively used in thermal management applications. This work investigates the anionic surfactant sodium dodecyl sulfate (SDS) and the nonionic surfactant Pluronic® P-123 as surfactant templates in yttria-stabilized zirconia (YSZ) aerogels. By utilizing surfactant templates, known to influence pore structure, it is anticipated that sintering and densification of the aerogels following high-temperature exposure will be mitigated. It was determined that the addition of SDS and P-123 increased the surface area and pore volume of as-dried aerogels and suppressed crystallite growth at high temperatures. However, the impact of surfactant templates on the surface area and pore volume of heat-treated aerogels was negligible, potentially due to low concentrations of surfactant and the removal of the surfactant following high-temperature exposure.

Yttria-stabilized zirconia aerogels↗

DOE OSTI2022

A Cross-Domain Optimization Framework of PMU and Communication Placement for Multidomain Resiliency and Cost Reduction

Phasor measurement units (PMUs) play a crucial role in real-time monitoring and control of power grids. They rely on a communication network to transfer measurement data to the phasor data concentrator (PDC) for further processing and analysis. In this paper, a resilient cross-domain PMU and communication link placement method for minimizing the overall installation cost of the wide-area measurement system (WAMS) is proposed. Here, the main idea is to break down the barrier between the power grid domain and the communication domain, and consider the impact of one when design the other. The PMU placement in the power grid domain takes into account the cost of communication links by generating multiple solutions with equally minimum PMU costs for communication link placement evaluation. On the other hand, the communication link placement problem reduces the cost by customizing the routing policies based on the different roles of PMUs in grid observability. The proposed WAMS design is capable of withstanding any single component failure in the power domain (PMU failure or power branch failure) or in the communication domain (communication link failure or PDC failure). Numerical study on the IEEE 57-bus system reveals that the developed cross-domain optimization framework can significantly reduce the overall installation cost of WAMS while attaining multi-domain resiliency.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS1989

Oxygen and iron production by electrolytic smelting of lunar soil

Previous work has shown that Fe(sup 0) and O2 can be derived by electrolysis from silicate smelt of a composition typical of lunar soils (Lindstrom and Haskin 1979). In the present study, the goal is to refine further the conditions necessary to optimize production and to determine efficiencies of production (how much product is derived for a given current) and purity of products. These depend on several factors, including potential imposed between electrodes, configuration and surface area of the electrodes, composition of the electrolyzed silicate melt, and oxygen fugacity. Experiments were designed to measure the dependence on these variables of three parameters that must be known before production by electrolysis can be optimized. These parameters are: Limiting Current; Actual Current; and Efficiencies of Production.

Haskin, Larry A.↗

NASA NTRS1989

Type of service wide area networking

A variety of long-distance types of circuits can be used for data communication. A description is given of an experiment which optimizes the simultaneous use of terrestrial and satellite circuits in a TCP/IP network. Traditionally, it has been difficult to use effectively the full capacity of high-bandwidth satellite circuits, due to long round-trip times coupled with TCP window-size limitations. The experiment significantly reduced the problem, and the result was effective use of all the available bandwidth and a satellite circuit for a single data transfer. This experiment also demonstrates the use of multiple T1 communication lines and type of service networking over these lines.

Lekashman, John↗

NASA NTRS1999

Advanced Interactive Display Formats for Terminal Area Traffic Control

This research project deals with an on-line dynamic method for automated viewing parameter management in perspective displays. Perspective images are optimized such that a human observer will perceive relevant spatial geometrical features with minimal errors. In order to compute the errors at which observers reconstruct spatial features from perspective images, a visual spatial-perception model was formulated. The model was employed as the basis of an optimization scheme aimed at seeking the optimal projection parameter setting. These ideas are implemented in the context of an air traffic control (ATC) application. A concept, referred to as an active display system, was developed. This system uses heuristic rules to identify relevant geometrical features of the three-dimensional air traffic situation. Agile, on-line optimization was achieved by a specially developed and custom-tailored genetic algorithm (GA), which was to deal with the multi-modal characteristics of the objective function and exploit its time-evolving nature.

Grunwald, Arthur J.↗

NASA NTRS1999

Advanced Interactive Display Formats for Terminal Area Traffic Control

Grunwald, Arthur J.↗

DOE OSTI2024

FORCE Update 2024

The Framework for Optimization of Resources and Economics (FORCE) tool suite is the U.S. Department of Energy’s Nuclear Integrated Energy Systems (IES) Program flagship tool suite for technoeconomic IES analysis of IES. This tool suite is useful for analysis designed to evaluate and improve the technoeconomics of energy production systems, particularly for systems including nuclear technology. In this report, we document the development activity for the FORCE tool suite to extend its capabilities as performed during fiscal year 2024. In addition to reliability and accessibility, capability is one of the three standards guiding the development of the FORCE tool suite and the software codes that are its constituent parts. Extending the capabilities of the FORCE tool suite allows analysis both within the IES program as well as industry, university, and laboratory partners to perform analysis with more accuracy, insight, and impactful narrative. Four areas of capability development were the focus of activity this year: economic parameter uncertainty quantification, multiresolution analysis, components-to-optimization workflow automation, and statespace construction workflows for real-time optimal control. In economic parameter uncertainty quantification, the ability of HERON to capture risk due to scenarios (weather and energy demand uncertainty) was expanded to also include uncertainties in financial parameters such as capital cost or operation and maintenance costs. By including these sources of uncertainty, which are sometimes very large compared with scenario uncertainty, HERON is better able to capture the risk posed by investment in various IES technology. Because of this, analysts can also consider the reduction in risks that can be realized by choice of some technologies. In multiresolution analysis, development activity extended on work completed previously. In fiscal year 2023, methods for decomposing time series signals, such as demand, solar and wind availability, and price profiles, were analyzed and down-selected to those most effective at splitting signals into different resolutions. These resolutions allow considering the influence of different energy demand and supply behaviors across different time scales. For example, energy demand might be divided into seasonal, weekly, and hourly profiles. In fiscal year 2024, this preliminary work was extended and implemented within the Risk Analysis Virtual Environment (RAVEN) risk and uncertainty analysis platform, which is used throughout the FORCE framework. This development of the “multi-resolution time series analysis” (MR-TSA) module in RAVEN allows training synthetic history generators on complex time series. These synthetic history generators can then be used in HERON for generating scenarios that represent possible market and weather scenarios that can be analyzed on different time scales. We envision completing this work in the future, implementing multiresolution dispatch optimization strategies that can make the most beneficial use of these stratified time histories. In components-to-optimization workflow development, workflows for translating user inputs of components into algorithms for algebraic optimization were selected and implemented. Similar algorithms within the Holistic Energy Resource Optimization Network (HERON) were separated from the main code base of HERON and gathered with the components-to-optimization workflows in the new Dispatch Optimization Variable Engine (DOVE) software library. This modularization allows FORCE users to analyze dispatch optimization and energy system duty cycles independently of HERON, which previously was a burdensome task. Additionally, these dispatch optimization algorithms, set up in an independent library, can now be used across all software applications within FORCE, especially including the real-time optimal control software Optimization of Real-time Capacity Allocation (ORCA). Allowing FORCE software to share dispatch optimization algorithms within a single library allows for improved software maintenance and reliability. In statespace characterization workflow development, alternative workflows for optimizing dispatch with additional technical accuracy was the focus, particularly to improve the real-time optimization decision making in ORCA. Using algorithms and workflows initially developed for the Feasible Actuator Range Modifier (FARM), workflows for determining the statespace representation of IES were identified and demonstrated. The resulting dispatch optimization required a more robust optimization algorithm than that originally used in HERON (and moved to DOVE), which required adding an alternate workflow to DOVE that can more accurately match the behavior of physical systems using a partial differential equation representation. In conclusion, capability developments in the FORCE tool suite in fiscal year 2024 have improved the ability of the FORCE tool suite to perform

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2024

Optimization of Conditions for Photoluminescence-Based Sensing of Critical Minerals: Strategies and Outlook

Economically critical minerals and metals are vital to America’s security, with application areas in energy, advanced technologies, and defense systems. The growing implementation of renewable energy sources such as electric vehicles is expected to significantly increase demand for these minerals, while the global supply is monopolistic, with most of the production occurring in a few countries outside of the US. To mitigate potential supply chain vulnerabilities, the domestic production of economically critical metals has become a bipartisan priority of the US government, and unconventional sources such as coal and its utilization byproducts such as fly ash and acid mine drainage are being actively explored as an alternative method for meeting domestic demand. Slow and expensive characterization methods for critical metals present a significant pain point for domestic production, which has led to the exploration of alternative low-cost, portable platforms capable of detecting target metals during resource prospecting and downstream process monitoring. The National Energy Technology Laboratory has developed a portable fiber optic-based luminescence spectrometer that utilizes a metal-organic framework (MOF) material to detect and distinguish parts-per-billion levels of the visible-emitting rare earth elements terbium, dysprosium, samarium, and europium, which are all economically critical metals. Although preliminary results with this system are promising, a crucial barrier to practical deployment is the ability to operate in low pH, high ionic strength environments, as acidic conditions and the presence of other metal ions can significantly reduce luminescence signal. Here, current strategies related to sample treatment, material design, and sensor configuration are discussed in the context of improving sensor performance in application-relevant conditions. Additionally, future opportunities, such as the optimization of the sensing binding environment through computational methods and specific metals to be removed for treatment will be discussed, presenting a forward-looking view for innovation in luminescent sensing of critical metals.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Improving leaf spring phenology modelling for temperate tree species: An integration of the Farquhar–Medlyn photosynthesis model with the optimality‐based approach

Spring leaf phenology in temperate tree species is highly sensitive to climate change and significantly affects plant photosynthetic performance, resource utilization, competition and trophic interactions, thereby impacting various ecosystem functions. Although optimality-based (OPT) approaches for modelling spring phenology are increasingly recognized, the optimal representation of the underlying principle (balancing photosynthesis gains with chilling risks) remains controversial. Here, we integrated a coupled Farquhar–Medlyn photosynthesis model into an existing OPT model, and termed the resulting model R-OPT, and evaluated its performance using the PEP725 dataset, which includes 409,144 site-species-year records from across Europe. Our results show that R-OPT outperforms both the default OPT and non-optimality-based models (e.g. the chilling-forcing trade-off and growing degree day models). This improved performance is consistent within and across five focal tree species but varies by region: R-OPT excels in lowland, moist environments but is less effective in high-altitude, cold, and dry areas, possibly due to an incomplete representation of environmental constraints on photosynthetic carbon gain in these regions. Our research advances leaf spring phenology modelling by emphasizing an optimality principle that balances photosynthetic carbon gain with chilling risk, improving the representation of plant photosynthesis processes and enhancing understanding of environmental factors influencing phenology in the context of climate change.

coupled Farquhar–Medlyn photosynthesis model↗

NASA NTRS1982

A modern approach to pilot/vehicle analysis and the Neal-Smith criteria

The present investigation is concerned with the development of a better pilot modelling technique via optimal control theory, taking into account concepts concerning 'pilot rating' considered by Neal and Smith (1970). The investigation conducted by Neal and Smith had the objective to provide data on the effects of Flight Control System dynamics and to develop a design criterion capable of pinpointing pilot problem areas encountered in performing a given task. Neal and Smith devised a 'pilot-in-the-loop' analysis capable of showing problem areas in pitch attitude tracking. Unfortunately the employed method has some drawbacks. The current investigation attempts, therefore, to provide an alternate approach which makes use of an optimal-control pilot model. An optimal control model (OCM) had been discussed by Kleinman et al. (1970). It is shown that the alternate approach, based on the OCM, offers some distinct advantages.

Bacon, B. J.↗